(2E)-19-heptylnonacosa-2,28-dien-9-ynoic acid

Systemtic Name: (2E)-19-heptylnonacosa-2,28-dien-9-ynoic acid Openeye Name: (2E)-19-heptylnonacosa-2,28-dien-9-ynoic acid CAS Name: (2E)-19-heptylnonacosa-2,28-dien-9-ynoic acid IUPAC Name: (2E)-19-heptylnonacosa-2,28-dien-9-ynoic acid Traditional Name: (2E)-19-heptylnonacosa-2,28-dien-9-ynoic acid Formula: C36H64O2 MolecularWeight: 528.89216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCCCC=C)CCCCCCCCC#CCCCCCC=CC(=O)O

Isomeric SMILES

CCCCCCCC(CCCCCCCCC=C)CCCCCCCCC#CCCCCC/C=C/C(=O)O

InChI

InChI=1S/C36H64O2/c1-3-5-7-9-10-20-24-28-32-35(31-27-23-8-6-4-2)33-29-25-21-18-16-14-12-11-13-15-17-19-22-26-30-34-36(37)38/h3,30,34-35H,1,4-10,12,14-29,31-33H2,2H3,(H,37,38)/b34-30+